검색결과 : 19건
| No. | Article |
|---|---|
| 1 |
Physics-Based Computational Protein Design: An Update Mignon D, Druart K, Michael E, Opuu V, Polydorides S, Villa F, Gaillard T, Panel N, Archontis G, Simonson T Journal of Physical Chemistry A, 124(51), 10637, 2020 |
| 2 |
Classical Drude Polarizable Force Field Model for Methyl Phosphate and Its Interactions with Mg2+ (vol 122, pg 6147, 2018) Villa F, MacKerell AD, Roux B, Simonson T Journal of Physical Chemistry A, 123(2), 629, 2019 |
| 3 |
Classical Drude Polarizable Force Field Model for Methyl Phosphate and Its Interactions with Mg2+ Villa F, MacKerell AD, Roux B, Simonson T Journal of Physical Chemistry A, 122(29), 6147, 2018 |
| 4 |
Equivalence of M- and P-Summation in Calculations of Ionic Solvation Free Energies Simonson T, Hummer G, Roux B Journal of Physical Chemistry A, 121(7), 1525, 2017 |
| 5 |
Free Energy Simulations of a GTPase: GTP and GDP Binding to Archaeal Initiation Factor 2 Satpati P, Clavaguera C, Ohanessian G, Simonson T Journal of Physical Chemistry B, 115(20), 6749, 2011 |
| 6 |
Predicting the Acid/Base Behavior of Proteins: A Constant-pH Monte Carlo Approach with Generalized Born Solvent Aleksandrov A, Polydorides S, Archontis G, Simonson T Journal of Physical Chemistry B, 114(32), 10634, 2010 |
| 7 |
Molecular dynamics simulations of the 30S ribosomal subunit reveal a preferred tetracycline binding site Aleksandrov A, Simonson T Journal of the American Chemical Society, 130(4), 1114, 2008 |
| 8 |
A residue-pairwise generalized Born scheme suitable for protein design calculations Archontis G, Simonson T Journal of Physical Chemistry B, 109(47), 22667, 2005 |
| 9 |
Proton binding to proteins: pK(a) calculations with explicit and implicit solvent models Simonson T, Carlsson J, Case DA Journal of the American Chemical Society, 126(13), 4167, 2004 |
| 10 |
Molecular dynamics of the tRNA(Ala) acceptor stem: Comparison between continuum reaction field and particle-mesh Ewald electrostatic treatments Nina M, Simonson T Journal of Physical Chemistry B, 106(14), 3696, 2002 |